SCHEMBL17526516

SCHEMBL17526516

CCCCC[C@@H](O)CCCCNC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 1/20 0.44
NFKB1 P19838 1/20 0.43
GPR84 Q9NQS5 5/20 0.42
FAAH O00519 2/20 0.40
FDPS P14324 1/20 0.36
EPHX2 P34913 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
PSMD14 O00487 2/20 0.36
PLA2G1B P04054 2/20 0.36
MMP2 P08253 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
HSP90AA1 P07900 1/20 0.36
RAD52 P43351 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17526825 1.00 FFAR4 (0.44) FFAR4FFAR1NFKB1GPR84FAAH
SCHEMBL17526777 0.96 FFAR4 (0.40) FFAR4FFAR1NFKB1GPR84FAAH
SCHEMBL17526718 0.96 FFAR4 (0.40) FFAR4FFAR1NFKB1GPR84FAAH
SCHEMBL1679202 0.82 TSHR (0.50) ALDH1A1TSHR
SCHEMBL5508330 0.80 EPHX1 (0.50) ALDH1A1TSHR
SCHEMBL7776706 0.80 EPHX1 (0.50) ALDH1A1TSHR
SCHEMBL5504517 0.80 EPHX1 (0.50) ALDH1A1TSHR
SCHEMBL41714 0.80 EPHX1 (0.50) ALDH1A1TSHR
SCHEMBL668098 0.80 EPHX1 (0.50) ALDH1A1TSHR
SCHEMBL15171894 0.80 EPHX1 (0.50) ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 FFAR4 2413/4885FFAR1 2686/4885NFKB1 846/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.